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• herschbachlaurie.csv

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resources.forcefield.mmff94.herschbachlaurie.csv Maven / Gradle / Ivy

25
int,int,float,float,float
0,0,1.26,0.025,0.025
0,1,1.66,0.30,0.36
0,2,1.84,0.38,0.58
0,3,1.98,0.49,0.65
0,4,2.03,0.51,0.80
0,5,2.03,0.25,0.81
0,30,1.85,0.15,0.53
0,40,1.84,0.61,0.61
0,50,1.78,0.97,0.62
1,1,1.91,0.68,0.68
1,2,2.28,0.74,0.92
1,3,2.35,0.85,1.02
1,4,2.33,0.68,1.12
1,5,2.50,0.97,1.22
1,30,2.08,1.14,0.97
1,40,2.34,1.17,1.08
2,2,2.41,1.18,1.18
2,3,2.52,1.02,1.28
2,4,2.61,1.28,1.40
2,5,2.60,0.84,1.24
3,3,2.58,1.41,1.35
3,4,2.66,0.86,1.48
3,5,2.75,1.14,1.55
4,4,2.85,1.62,1.62
4,5,2.76,1.25,1.51